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Selectivity prediction for frog-type peptide antibiotics against Gram-negative bacteria (CROSBI ID 557401)

Prilog sa skupa u zborniku | sažetak izlaganja sa skupa

Juretić, Davor Selectivity prediction for frog-type peptide antibiotics against Gram-negative bacteria // The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences / Tomić, Sanja ; Smith, David (ur.). Zagreb: Centre for Computational Solutions in the Life Sciences, Ruđer Bošković Institute, 2009. str. 40-40

Podaci o odgovornosti

Juretić, Davor

engleski

Selectivity prediction for frog-type peptide antibiotics against Gram-negative bacteria

We have developed the D-descriptor model for predicting the therapeutic index (TI) of frog-derived antimicrobial peptides (AMPs). It is linear one-parameter model which produces high correlation among predicted and measured TI (r2=0.83) for almost forty non-homologous AMPs. The single parameter used is cosine of the angle between two sequence moments for given peptide sequence bent in the π/2 arc. In the case of pseudin 2 measured and predicted TI are 6 and 7 (for separation angle of 15 degrees between sequence moments) respectively, but single point mutation (N3K) has dramatic effect in increasing TI to measured and predicted value of 34 and 36 (for separation angle of 72 degrees between sequence moments) respectively. We shall discuss sequence moments definition and relevance of this research for finding novel antibiotics with little likelihood to elicit bacterial resistance development.

peptide antibiotics; selectivity prediction

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Podaci o prilogu

40-40.

2009.

objavljeno

Podaci o matičnoj publikaciji

The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences

Tomić, Sanja ; Smith, David

Zagreb: Centre for Computational Solutions in the Life Sciences, Ruđer Bošković Institute

978-953-6690-80-0

Podaci o skupu

The 3^rd Adriatic Meeting on Computational Solutions in the Life Sciences

pozvano predavanje

01.09.2009-05.09.2009

Primošten, Hrvatska

Povezanost rada

Fizika, Biologija